Structure of PDB 4mut Chain B Binding Site BS02

Receptor Information
>4mut Chain B (length=188) Species: 1353 (Enterococcus gallinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTLQLINKNHPLKKNQEPPHLVLAPFSDHDVYLQPEVAKQWERLVRATGL
EKDIRLVSGYRTEKEQRRLWEYSLKENGLAYTKQFVALPGCSEHQIGLAI
DVGLKKQEDDDLICPHFRDSAAADLFMQQMMNYGFILRYPEDKQEITGIS
YEPWHFRYVGLPHSQVITAQKWTLEEYHDYLAQTVRQF
Ligand information
Ligand IDDAL
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKeyQNAYBMKLOCPYGJ-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
CACTVS 3.341C[C@@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)N
FormulaC3 H7 N O2
NameD-ALANINE
ChEMBLCHEMBL66693
DrugBankDB01786
ZINCZINC000004658556
PDB chain4mut Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mut Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		F86 A88 S93 H95 E153
Binding residue
(residue number reindexed from 1)		F85 A87 S92 H94 E152
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0008233 peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4mut, PDBe:4mut, PDBj:4mut
PDBsum4mut
PubMed24711382
UniProtQ9JN36

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